2-chloro-6-(6-methoxy-2,7-dimethylindazol-5-yl)-1,7-naphthyridine

C18H15ClN4O — CID 168977705

IUPAC2-chloro-6-(6-methoxy-2,7-dimethylindazol-5-yl)-1,7-naphthyridine
SMILESCOc1c(-c2cc3ccc(Cl)nc3cn2)cc2cn(C)nc2c1C
InChIInChI=1S/C18H15ClN4O/c1-10-17-12(9-23(2)22-17)6-13(18(10)24-3)14-7-11-4-5-16(19)21-15(11)8-20-14/h4-9H,1-3H3
InChIKeyUZNMPSLEYLUXNN-UHFFFAOYSA-N
MW338.80 g/mol
LogP4.15
Rot. Bonds2

About 2-chloro-6-(6-methoxy-2,7-dimethylindazol-5-yl)-1,7-naphthyridine

2-chloro-6-(6-methoxy-2,7-dimethylindazol-5-yl)-1,7-naphthyridine (PubChem CID 168977705) has the molecular formula C18H15ClN4O and a molecular weight of 338.80 g/mol. Its IUPAC name is 2-chloro-6-(6-methoxy-2,7-dimethylindazol-5-yl)-1,7-naphthyridine.

Molecular Properties

Compound Name2-chloro-6-(6-methoxy-2,7-dimethylindazol-5-yl)-1,7-naphthyridine
PubChem CID168977705
Molecular FormulaC18H15ClN4O
Molecular Weight338.80 g/mol
Exact Mass338.09
IUPAC Name2-chloro-6-(6-methoxy-2,7-dimethylindazol-5-yl)-1,7-naphthyridine
SMILESCOc1c(-c2cc3ccc(Cl)nc3cn2)cc2cn(C)nc2c1C
InChIInChI=1S/C18H15ClN4O/c1-10-17-12(9-23(2)22-17)6-13(18(10)24-3)14-7-11-4-5-16(19)21-15(11)8-20-14/h4-9H,1-3H3
InChIKeyUZNMPSLEYLUXNN-UHFFFAOYSA-N
XLogP4.15
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.80
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(6-methoxy-2,7-dimethylindazol-5-yl)-1,7-naphthyridine?
The IUPAC name of 2-chloro-6-(6-methoxy-2,7-dimethylindazol-5-yl)-1,7-naphthyridine (CID 168977705) is 2-chloro-6-(6-methoxy-2,7-dimethylindazol-5-yl)-1,7-naphthyridine.
What is the SMILES notation for 2-chloro-6-(6-methoxy-2,7-dimethylindazol-5-yl)-1,7-naphthyridine?
The canonical SMILES for 2-chloro-6-(6-methoxy-2,7-dimethylindazol-5-yl)-1,7-naphthyridine is COc1c(-c2cc3ccc(Cl)nc3cn2)cc2cn(C)nc2c1C.
What is the InChIKey of 2-chloro-6-(6-methoxy-2,7-dimethylindazol-5-yl)-1,7-naphthyridine?
The InChIKey is UZNMPSLEYLUXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O/c1-10-17-12(9-23(2)22-17)6-13(18(10)24-3)14-7-11-4-5-16(19)21-15(11)8-20-14/h4-9H,1-3H3.
What are the key properties of 2-chloro-6-(6-methoxy-2,7-dimethylindazol-5-yl)-1,7-naphthyridine?
2-chloro-6-(6-methoxy-2,7-dimethylindazol-5-yl)-1,7-naphthyridine has a molecular weight of 338.80 g/mol, XLogP of 4.15, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(6-methoxy-2,7-dimethylindazol-5-yl)-1,7-naphthyridine is sourced from PubChem (CID 168977705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).